| Drug General Information |
| Drug ID |
D02UQX
|
| Former ID |
DNC005194
|
| Drug Name |
BIOCHANIN
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
|
| Formula |
C16H12O5
|
| Canonical SMILES |
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O
|
| InChI |
1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
|
| InChIKey |
WUADCCWRTIWANL-UHFFFAOYSA-N
|
| PubChem Compound ID |
|
| Target and Pathway |
| Target(s) |
Cytochrome P450 19 |
Target Info |
Inhibitor |
[2]
|
|---|
| Beta-hydroxyacyl-acp dehydratase |
Target Info |
Inhibitor |
[1]
|
| Fatty acid synthase |
Target Info |
Inhibitor |
[1]
|
|
BioCyc Pathway
|
Superpathway of steroid hormone biosynthesis
|
|
Estradiol biosynthesis II
|
|
Estradiol biosynthesis IPWY-5966-1:Fatty acid biosynthesis initiation
|
|
Fatty acid elongation -- saturated
|
|
Palmitate biosynthesis
|
|
KEGG Pathway
|
Steroid hormone biosynthesis
|
|
Metabolic pathways
|
|
Ovarian steroidogenesispfa00061:Fatty acid biosynthesis
|
|
Biotin metabolism
|
|
Metabolic pathways
|
|
Fatty acid metabolismhsa00061:Fatty acid biosynthesis
|
|
Fatty acid metabolism
|
|
AMPK signaling pathway
|
|
Insulin signaling pathway
|
|
NetPath Pathway
|
FSH Signaling Pathway
|
|
PANTHER Pathway
|
Androgen/estrogene/progesterone biosynthesis
|
|
Pathway Interaction Database
|
p73 transcription factor network
|
|
Validated transcriptional targets of deltaNp63 isoforms
|
|
PathWhiz Pathway
|
Androgen and Estrogen MetabolismPW000167:Fatty Acid Biosynthesis
|
|
Reactome
|
Endogenous sterolsR-HSA-163765:ChREBP activates metabolic gene expression
|
|
Activation of gene expression by SREBF (SREBP)
|
|
Fatty Acyl-CoA Biosynthesis
|
|
WikiPathways
|
Metapathway biotransformation
|
|
Tryptophan metabolism
|
|
Oxidation by Cytochrome P450
|
|
Ovarian Infertility Genes
|
|
Metabolism of steroid hormones and vitamin D
|
|
FSH signaling pathway
|
|
Integrated Breast Cancer Pathway
|
|
Phase 1 - Functionalization of compoundsWP357:Fatty Acid Biosynthesis
|
|
Nuclear Receptors Meta-Pathway
|
|
Liver X Receptor Pathway
|
|
Activation of Gene Expression by SREBP (SREBF)
|
|
SREBF and miR33 in cholesterol and lipid homeostasis
|
|
SREBP signalling
|
|
Metabolism of water-soluble vitamins and cofactors
|
|
Integration of energy metabolism
|
|
Fatty acid, triacylglycerol, and ketone body metabolism
|
|
AMPK Signaling
|
| References |
| REF 1 | J Med Chem. 2006 Jun 1;49(11):3345-53.Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids. |
|---|
| REF 2 | Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). |
|---|
